(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine

C15H20N2O2 — CID 99641963

IUPAC(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESC[C@@H]1CN([C@@H]2/C(=N/O)Cc3ccccc32)C[C@@H](C)O1
InChIInChI=1S/C15H20N2O2/c1-10-8-17(9-11(2)19-10)15-13-6-4-3-5-12(13)7-14(15)16-18/h3-6,10-11,15,18H,7-9H2,1-2H3/b16-14+/t10-,11-,15+/m1/s1
InChIKeyPTLJUPIMAYRXCX-PYLXOACDSA-N
MW260.34 g/mol
LogP2.22
Rot. Bonds1

About (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine

(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine (PubChem CID 99641963) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
PubChem CID99641963
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESC[C@@H]1CN([C@@H]2/C(=N/O)Cc3ccccc32)C[C@@H](C)O1
InChIInChI=1S/C15H20N2O2/c1-10-8-17(9-11(2)19-10)15-13-6-4-3-5-12(13)7-14(15)16-18/h3-6,10-11,15,18H,7-9H2,1-2H3/b16-14+/t10-,11-,15+/m1/s1
InChIKeyPTLJUPIMAYRXCX-PYLXOACDSA-N
XLogP2.22
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
CID 5203468
(NE)-N-[(1S)-1-(azepan-1-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
CID 40569980
(NZ)-N-(1-piperidin-1-yl-1,3-dihydroinden-2-ylidene)hydroxylamine
CID 6513919
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
CID 5073866
(NZ)-N-[2-(2,6-dimethylmorpholin-4-yl)cyclopentylidene]hydroxylamine
CID 6372781
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104958357
(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 10773997
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(9H-fluoren-2-yl)methanone
CID 39878233
(2,6-dimethylmorpholin-4-yl)-(9H-fluoren-2-yl)methanone
CID 71896788
(2S,6R)-4-(2-cyclopropylphenyl)-2,6-dimethylmorpholine
CID 126517774
(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine
CID 27089074
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid
CID 56862053

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine (CID 99641963) is (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine is C[C@@H]1CN([C@@H]2/C(=N/O)Cc3ccccc32)C[C@@H](C)O1.
What is the InChIKey of (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The InChIKey is PTLJUPIMAYRXCX-PYLXOACDSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-8-17(9-11(2)19-10)15-13-6-4-3-5-12(13)7-14(15)16-18/h3-6,10-11,15,18H,7-9H2,1-2H3/b16-14+/t10-,11-,15+/m1/s1.
What are the key properties of (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
(NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine has a molecular weight of 260.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine is sourced from PubChem (CID 99641963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).